4-(1-benzothiophen-5-yl)isoquinoline

C17H11NS — CID 86224261

IUPAC4-(1-benzothiophen-5-yl)isoquinoline
SMILESc1ccc2c(-c3ccc4sccc4c3)cncc2c1
InChIInChI=1S/C17H11NS/c1-2-4-15-14(3-1)10-18-11-16(15)12-5-6-17-13(9-12)7-8-19-17/h1-11H
InChIKeyQVUXCYWIKNSACJ-UHFFFAOYSA-N
MW261.35 g/mol
LogP5.12
Rot. Bonds1

About 4-(1-benzothiophen-5-yl)isoquinoline

4-(1-benzothiophen-5-yl)isoquinoline (PubChem CID 86224261) has the molecular formula C17H11NS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(1-benzothiophen-5-yl)isoquinoline.

Molecular Properties

Compound Name4-(1-benzothiophen-5-yl)isoquinoline
PubChem CID86224261
Molecular FormulaC17H11NS
Molecular Weight261.35 g/mol
Exact Mass261.06
IUPAC Name4-(1-benzothiophen-5-yl)isoquinoline
SMILESc1ccc2c(-c3ccc4sccc4c3)cncc2c1
InChIInChI=1S/C17H11NS/c1-2-4-15-14(3-1)10-18-11-16(15)12-5-6-17-13(9-12)7-8-19-17/h1-11H
InChIKeyQVUXCYWIKNSACJ-UHFFFAOYSA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-naphthalen-2-yl-1-benzothiophene
CID 101067943
3-isoquinolin-4-ylaniline
CID 22724137
4-(1-benzothiophen-5-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171741885
2-(1-benzothiophen-5-yl)-4-chrysen-3-yl-6-phenyl-1,3,5-triazine
CID 159314733
4-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-4-ylphenyl)phenyl]phenyl]isoquinoline
CID 118582428
7-isoquinolin-4-yl-1H-quinolin-2-one
CID 167814827
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-4-ylphenyl)phenyl]phenyl]isoquinoline
CID 118582410
4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121384370
4-[4-[6-(3-naphthalen-1-ylphenyl)-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121384409
4-(1H-pyrrol-3-yl)isoquinoline
CID 59724469
N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 170181051
4-[4-[2-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121477566

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-5-yl)isoquinoline?
The IUPAC name of 4-(1-benzothiophen-5-yl)isoquinoline (CID 86224261) is 4-(1-benzothiophen-5-yl)isoquinoline.
What is the SMILES notation for 4-(1-benzothiophen-5-yl)isoquinoline?
The canonical SMILES for 4-(1-benzothiophen-5-yl)isoquinoline is c1ccc2c(-c3ccc4sccc4c3)cncc2c1.
What is the InChIKey of 4-(1-benzothiophen-5-yl)isoquinoline?
The InChIKey is QVUXCYWIKNSACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NS/c1-2-4-15-14(3-1)10-18-11-16(15)12-5-6-17-13(9-12)7-8-19-17/h1-11H.
What are the key properties of 4-(1-benzothiophen-5-yl)isoquinoline?
4-(1-benzothiophen-5-yl)isoquinoline has a molecular weight of 261.35 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-5-yl)isoquinoline is sourced from PubChem (CID 86224261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).